1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone

C15H20ClNO — CID 43219367

IUPAC1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(14-5-3-2-4-6-14)11-15(18)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyNGBYJRWEKICMJL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone

1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone (PubChem CID 43219367) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
PubChem CID43219367
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(14-5-3-2-4-6-14)11-15(18)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyNGBYJRWEKICMJL-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone (CID 43219367) is 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone is CN(CC(=O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone?
The InChIKey is NGBYJRWEKICMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17(14-5-3-2-4-6-14)11-15(18)12-7-9-13(16)10-8-12/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone?
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone is sourced from PubChem (CID 43219367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).